[4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate

C23H20Cl2N2O2 — CID 3955109

IUPAC[4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate
SMILESCc1cc(C)c(/N=C/c2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1C
InChIInChI=1S/C23H20Cl2N2O2/c1-14-10-16(3)22(11-15(14)2)26-13-17-4-7-19(8-5-17)29-23(28)27-18-6-9-20(24)21(25)12-18/h4-13H,1-3H3,(H,27,28)/b26-13+
InChIKeyJJCIWJLUOGLHQQ-LGJNPRDNSA-N
MW427.33 g/mol
LogP7.28
Rot. Bonds4

About [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate

[4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate (PubChem CID 3955109) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate
PubChem CID3955109
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name[4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate
SMILESCc1cc(C)c(/N=C/c2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1C
InChIInChI=1S/C23H20Cl2N2O2/c1-14-10-16(3)22(11-15(14)2)26-13-17-4-7-19(8-5-17)29-23(28)27-18-6-9-20(24)21(25)12-18/h4-13H,1-3H3,(H,27,28)/b26-13+
InChIKeyJJCIWJLUOGLHQQ-LGJNPRDNSA-N
XLogP7.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
CID 4318743
[4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6296161
[4-[[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 4687974
[4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060935
[4-(2-aminoethyl)phenyl] N-(3-chloro-4-methylphenyl)carbamate
CID 79341773
3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840617
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 4571509
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide
CID 126170329
[4-[[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3480577

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate (CID 3955109) is [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate is Cc1cc(C)c(/N=C/c2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1C.
What is the InChIKey of [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate?
The InChIKey is JJCIWJLUOGLHQQ-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-14-10-16(3)22(11-15(14)2)26-13-17-4-7-19(8-5-17)29-23(28)27-18-6-9-20(24)21(25)12-18/h4-13H,1-3H3,(H,27,28)/b26-13+.
What are the key properties of [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate?
[4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate has a molecular weight of 427.33 g/mol, XLogP of 7.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4,5-trimethylphenyl)iminomethyl]phenyl] N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 3955109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).